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Haoyuan Chen - Publications

Affiliations: 
2021-2024 Chemistry The University of Texas Rio Grande Valley 
 2024- Chemistry Southern Methodist University, Dallas, TX, United States 
Area:
Computational Chemistry
Website:
https://chenresearchgroup.wordpress.com/
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36 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2024 Formalik F, Chen H, Snurr RQ. Avoiding pitfalls in molecular simulation of vapor sorption: Example of propane and isobutane in metal-organic frameworks for adsorption cooling applications. The Journal of Chemical Physics. 160. PMID 38738606 DOI: 10.1063/5.0202748  0.508
2023 Mian MR, Wang X, Wang X, Kirlikovali KO, Xie H, Ma K, Fahy KM, Chen H, Islamoglu T, Snurr RQ, Farha OK. Structure-Activity Relationship Insights for Organophosphonate Hydrolysis at Ti(IV) Active Sites in Metal-Organic Frameworks. Journal of the American Chemical Society. PMID 36919617 DOI: 10.1021/jacs.2c13887  0.6
2021 Chen Z, Mian MR, Lee SJ, Chen H, Zhang X, Kirlikovali KO, Shulda S, Melix P, Rosen AS, Parilla PA, Gennett T, Snurr RQ, Islamoglu T, Yildirim T, Farha OK. Fine-Tuning a Robust Metal-Organic Framework toward Enhanced Clean Energy Gas Storage. Journal of the American Chemical Society. PMID 34752071 DOI: 10.1021/jacs.1c08749  0.656
2021 Li Z, Bucior BJ, Chen H, Haranczyk M, Siepmann JI, Snurr RQ. Machine learning using host/guest energy histograms to predict adsorption in metal-organic frameworks: Application to short alkanes and Xe/Kr mixtures. The Journal of Chemical Physics. 155: 014701. PMID 34241399 DOI: 10.1063/5.0050823  0.748
2021 Mian MR, Chen H, Cao R, Kirlikovali KO, Snurr RQ, Islamoglu T, Farha OK. Insights into Catalytic Hydrolysis of Organophosphonates at M-OH Sites of Azolate-Based Metal Organic Frameworks. Journal of the American Chemical Society. PMID 34160219 DOI: 10.1021/jacs.1c03901  0.463
2021 Chen XY, Chen H, Đorđević L, Guo QH, Wu H, Wang Y, Zhang L, Jiao Y, Cai K, Chen H, Stern CL, Stupp SI, Snurr RQ, Shen D, Stoddart JF. Selective Photodimerization in a Cyclodextrin Metal-Organic Framework. Journal of the American Chemical Society. PMID 34080831 DOI: 10.1021/jacs.1c03277  0.501
2021 Liu J, Chen Z, Wang R, Alayoglu S, Islamoglu T, Lee SJ, Sheridan TR, Chen H, Snurr RQ, Farha OK, Hupp JT. Zirconium Metal-Organic Frameworks Integrating Chloride Ions for Ammonia Capture and/or Chemical Separation. Acs Applied Materials & Interfaces. PMID 33961384 DOI: 10.1021/acsami.1c03717  0.496
2021 Liu J, Lu Z, Chen Z, Rimoldi M, Howarth AJ, Chen H, Alayoglu S, Snurr RQ, Farha OK, Hupp JT. Ammonia Capture within Zirconium Metal-Organic Frameworks: Reversible and Irreversible Uptake. Acs Applied Materials & Interfaces. PMID 33886253 DOI: 10.1021/acsami.1c02370  0.523
2020 von Wedelstedt A, Chen H, Kalies G, Snurr RQ. Do Internal and External Surfaces of Metal-Organic Frameworks Have the Same Hydrophobicity? Insights from Molecular Simulations. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 33086785 DOI: 10.1021/acs.langmuir.0c02527  0.456
2020 Chen Y, Zhang X, Chen H, Drout RJ, Chen Z, Mian MR, Maldonado RR, Ma K, Wang X, Xia Q, Li Z, Islamoglu T, Snurr RQ, Farha OK. Tuning the Atrazine Binding Sites in An Indium-Based Flexible Metal-Organic Framework. Acs Applied Materials & Interfaces. PMID 32909742 DOI: 10.1021/Acsami.0C13022  0.579
2020 Drout RJ, Kato S, Chen H, Son FA, Otake KI, Islamoglu T, Snurr RQ, Farha OK. Isothermal Titration Calorimetry to Explore the Parameter Space of Organophosphorus Agrochemical Adsorption in MOFs. Journal of the American Chemical Society. PMID 32614581 DOI: 10.1021/Jacs.0C04668  0.533
2020 Rosen AS, Mian MR, Islamoglu T, Chen H, Farha OK, Notestein JM, Snurr RQ. Tuning the Redox Activity of Metal-Organic Frameworks for Enhanced, Selective O Binding: Design Rules and Ambient Temperature O Chemisorption in a Cobalt-Triazolate Framework. Journal of the American Chemical Society. PMID 32031371 DOI: 10.1021/Jacs.9B12401  0.701
2020 Guo QH, Jia M, Liu Z, Qiu Y, Chen H, Shen D, Zhang X, Tu Q, Ryder MR, Chen H, Li P, Xu Y, Li P, Chen Z, Shekhawat GS, et al. Single-Crystal Polycationic Polymers Obtained by Single-Crystal-to-Single-Crystal Photopolymerization. Journal of the American Chemical Society. PMID 32017550 DOI: 10.1021/Jacs.9B13790  0.463
2020 Chen H, Snurr RQ. Understanding the Loading Dependence of Adsorbate Diffusivities in Hierarchical Metal-Organic Frameworks. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 31957450 DOI: 10.1021/Acs.Langmuir.9B03802  0.486
2020 Chen H, Snurr RQ. Insights into Catalytic Gas-Phase Hydrolysis of Organophosphate Chemical Warfare Agents by MOF-Supported Bimetallic Metal-Oxo Clusters. Acs Applied Materials & Interfaces. PMID 31909586 DOI: 10.1021/Acsami.9B19484  0.534
2020 Ma K, Li P, Xin JH, Chen Y, Chen Z, Goswami S, Liu X, Kato S, Chen H, Zhang X, Bai J, Wasson MC, Maldonado RR, Snurr RQ, Farha OK. Ultrastable Mesoporous Hydrogen-Bonded Organic Framework-Based Fiber Composites toward Mustard Gas Detoxification Cell Reports Physical Science. 1: 100024. DOI: 10.1016/j.xcrp.2020.100024  0.393
2019 Wang F, Chen Z, Chen H, Goetjen TA, Li P, Wang X, Alayoglu S, Ma K, Chen Y, Wang T, Islamoglu T, Fang Y, Snurr RQ, Farha OK. Interplay of Lewis and Brønsted Acid Sites in Zr-Based Metal-Organic Frameworks for Efficient Esterification of Biomass-Derived Levulinic Acid. Acs Applied Materials & Interfaces. PMID 31441295 DOI: 10.1021/Acsami.9B07769  0.508
2019 Kato S, Otake KI, Chen H, Akpinar I, Buru CT, Islamoglu T, Snurr RQ, Farha OK. Zirconium-Based Metal-Organic Frameworks for the Removal of Protein-Bound Uremic Toxin from Human Serum Albumin. Journal of the American Chemical Society. PMID 30707010 DOI: 10.1021/Jacs.8B12525  0.546
2019 Limvorapitux R, Chen H, Mendonca ML, Liu M, Snurr RQ, Nguyen ST. Elucidating the mechanism of the UiO-66-catalyzed sulfide oxidation: activity and selectivity enhancements through changes in the node coordination environment and solvent Catalysis Science & Technology. 9: 327-335. DOI: 10.1039/C8Cy01139G  0.724
2019 Chen H, Chen Z, Farha OK, Snurr RQ. High Propane and Isobutane Adsorption Cooling Capacities in Zirconium-Based Metal–Organic Frameworks Predicted by Molecular Simulations Acs Sustainable Chemistry & Engineering. 7: 18242-18246. DOI: 10.1021/Acssuschemeng.9B05368  0.512
2019 Chen H, Chen Z, Zhang L, Li P, Liu J, Redfern LR, Moribe S, Cui Q, Snurr RQ, Farha OK. Toward Design Rules of Metal–Organic Frameworks for Adsorption Cooling: Effect of Topology on the Ethanol Working Capacity Chemistry of Materials. 31: 2702-2706. DOI: 10.1021/Acs.Chemmater.9B00062  0.469
2019 Guo Q, Liu Z, Li P, Shen D, Xu Y, Ryder MR, Chen H, Stern CL, Malliakas CD, Zhang X, Zhang L, Qiu Y, Shi Y, Snurr RQ, Philp D, et al. A Hierarchical Nanoporous Diamondoid Superstructure Chem. 5: 2353-2364. DOI: 10.1016/J.Chempr.2019.06.011  0.495
2018 Patel HA, Selberg J, Salah D, Chen H, Liao Y, Nalluri SKM, Farha OK, Snurr RQ, Rolandi M, Stoddart JF. Proton Conduction in Tröger's Base Linked Poly(crown ether)s. Acs Applied Materials & Interfaces. PMID 29869495 DOI: 10.1021/Acsami.8B05532  0.493
2018 Chen H, Liao P, Mendonca ML, Snurr RQ. Insights into Catalytic Hydrolysis of Organophosphate Warfare Agents by Metal–Organic Framework NU-1000 The Journal of Physical Chemistry C. 122: 12362-12368. DOI: 10.1021/Acs.Jpcc.8B03641  0.744
2017 Chen H, Giese TJ, Golden BL, York DM. Divalent metal ion activation of a guanine general base in the hammerhead ribozyme: insights from molecular simulations. Biochemistry. PMID 28530384 DOI: 10.1021/Acs.Biochem.6B01192  0.726
2016 Zhang S, Gu H, Chen H, Strong E, Ollie EW, Kellerman D, Liang D, Miyagi M, Anderson VE, Piccirilli JA, York DM, Harris ME. Isotope effect analyses provide evidence for an altered transition state for RNA 2'-O-transphosphorylation catalyzed by Zn(2.) Chemical Communications (Cambridge, England). PMID 26859380 DOI: 10.1039/C5Cc10212J  0.548
2015 Radak BK, Romanus M, Lee TS, Chen H, Huang M, Treikalis A, Balasubramanian V, Jha S, York DM. Characterization of the Three-Dimensional Free Energy Manifold for the Uracil Ribonucleoside from Asynchronous Replica Exchange Simulations. Journal of Chemical Theory and Computation. 11: 373-377. PMID 26580900 DOI: 10.1021/Ct500776J  0.643
2015 Chen H, Piccirilli JA, Harris ME, York DM. Effect of Zn(2+) binding and enzyme active site on the transition state for RNA 2'-O-transphosphorylation interpreted through kinetic isotope effects. Biochimica Et Biophysica Acta. PMID 25812974 DOI: 10.1016/J.Bbapap.2015.02.022  0.577
2015 Panteva MT, Dissanayake T, Chen H, Radak BK, Kuechler ER, Giamba?u GM, Lee TS, York DM. Multiscale methods for computational RNA enzymology. Methods in Enzymology. 553: 335-74. PMID 25726472 DOI: 10.1016/Bs.Mie.2014.10.064  0.59
2015 Gallicchio E, Chen H, Chen H, Fitzgerald M, Gao Y, He P, Kalyanikar M, Kao C, Lu B, Niu Y, Pethe M, Zhu J, Levy RM. BEDAM binding free energy predictions for the SAMPL4 octa-acid host challenge. Journal of Computer-Aided Molecular Design. 29: 315-25. PMID 25726024 DOI: 10.1007/S10822-014-9795-2  0.315
2015 Giese TJ, Panteva MT, Chen H, York DM. Multipolar Ewald Methods, 2: Applications Using a Quantum Mechanical Force Field. Journal of Chemical Theory and Computation. 11: 451-461. PMID 25691830 DOI: 10.1021/Ct500799G  0.73
2015 Giese TJ, Panteva MT, Chen H, York DM. Multipolar Ewald Methods, 1: Theory, Accuracy, and Performance. Journal of Chemical Theory and Computation. 11: 436-450. PMID 25691829 DOI: 10.1021/Ct5007983  0.71
2014 Chen H, Giese TJ, Huang M, Wong KY, Harris ME, York DM. Mechanistic insights into RNA transphosphorylation from kinetic isotope effects and linear free energy relationships of model reactions. Chemistry (Weinheim An Der Bergstrasse, Germany). 20: 14336-43. PMID 25223953 DOI: 10.1002/Chem.201403862  0.755
2014 Giese TJ, Huang M, Chen H, York DM. Recent advances toward a general purpose linear-scaling quantum force field. Accounts of Chemical Research. 47: 2812-20. PMID 24937206 DOI: 10.1021/Ar500103G  0.752
2014 Giese TJ, Chen H, Huang M, York DM. Parametrization of an Orbital-Based Linear-Scaling Quantum Force Field for Noncovalent Interactions. Journal of Chemical Theory and Computation. 10: 1086-1098. PMID 24803856 DOI: 10.1021/Ct401035T  0.749
2013 Giese TJ, Chen H, Dissanayake T, Giamba?u GM, Heldenbrand H, Huang M, Kuechler ER, Lee TS, Panteva MT, Radak BK, York DM. A variational linear-scaling framework to build practical, efficient next-generation orbital-based quantum force fields. Journal of Chemical Theory and Computation. 9: 1417-1427. PMID 23814506 DOI: 10.1021/Ct3010134  0.749
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